CID 171748222

Tert-butyl 1-oxa-8-azadispiro[2.1.5^{5}.1^{3}]undecane-8-carboxylate

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC3(C2)CO3
InChI
InChI=1S/C14H23NO3/c1-12(2,3)18-11(16)15-6-4-13(5-7-15)8-14(9-13)10-17-14/h4-10H2,1-3H3
InChIKey
FDIYHGMLQAENML-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxa-8-azadispiro[2.1.55.13]undecane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

253.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 161.7
[M+Na]+ 276.15702 167.6
[M-H]- 252.16052 168.7
[M+NH4]+ 271.20162 169.9
[M+K]+ 292.13096 171.3
[M+H-H2O]+ 236.16506 152.3
[M+HCOO]- 298.16600 174.3
[M+CH3COO]- 312.18165 197.0
[M+Na-2H]- 274.14247 167.8
[M]+ 253.16725 171.4
[M]- 253.16835 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.